(phenylmethyl) N-[(1S)-1-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S)-1-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate Openeye Name: tert-butyl N-[(5S)-5-(benzyloxycarbonylamino)-5-cyano-pentyl]carbamate CAS Name: N-[(1S)-1-cyano-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-1-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate Traditional Name: N-[(5S)-5-(benzyloxycarbonylamino)-5-cyano-pentyl]carbamic acid tert-butyl ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C#N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C#N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H27N3O4/c1-19(2,3)26-17(23)21-12-8-7-11-16(13-20)22-18(24)25-14-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-12,14H2,1-3H3,(H,21,23)(H,22,24)/t16-/m0/s1